3-(cyclohexylidenemethyl)-1,1-bis(2-methoxyethyl)urea

C14H26N2O3 — CID 108912584

IUPAC3-(cyclohexylidenemethyl)-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)NC=C1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-18-10-8-16(9-11-19-2)14(17)15-12-13-6-4-3-5-7-13/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyVHGCDCXDLKPYHK-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.14
Rot. Bonds7

About 3-(cyclohexylidenemethyl)-1,1-bis(2-methoxyethyl)urea

3-(cyclohexylidenemethyl)-1,1-bis(2-methoxyethyl)urea (PubChem CID 108912584) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-(cyclohexylidenemethyl)-1,1-bis(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-(cyclohexylidenemethyl)-1,1-bis(2-methoxyethyl)urea
PubChem CID108912584
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-(cyclohexylidenemethyl)-1,1-bis(2-methoxyethyl)urea
SMILESCOCCN(CCOC)C(=O)NC=C1CCCCC1
InChIInChI=1S/C14H26N2O3/c1-18-10-8-16(9-11-19-2)14(17)15-12-13-6-4-3-5-7-13/h12H,3-11H2,1-2H3,(H,15,17)
InChIKeyVHGCDCXDLKPYHK-UHFFFAOYSA-N
XLogP2.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylidenemethyl)-1,1-bis(2-methoxyethyl)urea?
The IUPAC name of 3-(cyclohexylidenemethyl)-1,1-bis(2-methoxyethyl)urea (CID 108912584) is 3-(cyclohexylidenemethyl)-1,1-bis(2-methoxyethyl)urea.
What is the SMILES notation for 3-(cyclohexylidenemethyl)-1,1-bis(2-methoxyethyl)urea?
The canonical SMILES for 3-(cyclohexylidenemethyl)-1,1-bis(2-methoxyethyl)urea is COCCN(CCOC)C(=O)NC=C1CCCCC1.
What is the InChIKey of 3-(cyclohexylidenemethyl)-1,1-bis(2-methoxyethyl)urea?
The InChIKey is VHGCDCXDLKPYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-18-10-8-16(9-11-19-2)14(17)15-12-13-6-4-3-5-7-13/h12H,3-11H2,1-2H3,(H,15,17).
What are the key properties of 3-(cyclohexylidenemethyl)-1,1-bis(2-methoxyethyl)urea?
3-(cyclohexylidenemethyl)-1,1-bis(2-methoxyethyl)urea has a molecular weight of 270.37 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylidenemethyl)-1,1-bis(2-methoxyethyl)urea is sourced from PubChem (CID 108912584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).